5-azanyl-2-methyl-3-nitro-benzoic acid

Systemtic Name: 5-azanyl-2-methyl-3-nitro-benzoic acid Openeye Name: 5-amino-2-methyl-3-nitro-benzoic acid CAS Name: 5-amino-2-methyl-3-nitrobenzoic acid IUPAC Name: 5-amino-2-methyl-3-nitrobenzoic acid Traditional Name: 5-amino-2-methyl-3-nitro-benzoic acid Formula: C8H8N2O4 MolecularWeight: 196.16012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O4/c1-4-6(8(11)12)2-5(9)3-7(4)10(13)14/h2-3H,9H2,1H3,(H,11,12)